ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane

C28H46OSi3 — CID 15784111

IUPACditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane
SMILESCC(C)(C)[Si](C)(C(C)(C)C)C1([Si](C)(C)C)C2C=CC=CC2=C(c2ccccc2)O[Si]1(C)C
InChIInChI=1S/C28H46OSi3/c1-26(2,3)32(12,27(4,5)6)28(30(7,8)9)24-21-17-16-20-23(24)25(29-31(28,10)11)22-18-14-13-15-19-22/h13-21,24H,1-12H3
InChIKeyUYOLUEQKTBTFMG-UHFFFAOYSA-N
MW482.93 g/mol
LogP9.21
Rot. Bonds3

About ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane

ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane (PubChem CID 15784111) has the molecular formula C28H46OSi3 and a molecular weight of 482.93 g/mol. Its IUPAC name is ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane.

Molecular Properties

Compound Nameditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane
PubChem CID15784111
Molecular FormulaC28H46OSi3
Molecular Weight482.93 g/mol
Exact Mass482.29
IUPAC Nameditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane
SMILESCC(C)(C)[Si](C)(C(C)(C)C)C1([Si](C)(C)C)C2C=CC=CC2=C(c2ccccc2)O[Si]1(C)C
InChIInChI=1S/C28H46OSi3/c1-26(2,3)32(12,27(4,5)6)28(30(7,8)9)24-21-17-16-20-23(24)25(29-31(28,10)11)22-18-14-13-15-19-22/h13-21,24H,1-12H3
InChIKeyUYOLUEQKTBTFMG-UHFFFAOYSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.93
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane?
The IUPAC name of ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane (CID 15784111) is ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane.
What is the SMILES notation for ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane?
The canonical SMILES for ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane is CC(C)(C)[Si](C)(C(C)(C)C)C1([Si](C)(C)C)C2C=CC=CC2=C(c2ccccc2)O[Si]1(C)C.
What is the InChIKey of ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane?
The InChIKey is UYOLUEQKTBTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46OSi3/c1-26(2,3)32(12,27(4,5)6)28(30(7,8)9)24-21-17-16-20-23(24)25(29-31(28,10)11)22-18-14-13-15-19-22/h13-21,24H,1-12H3.
What are the key properties of ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane?
ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane has a molecular weight of 482.93 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(3,3-dimethyl-1-phenyl-4-trimethylsilyl-4aH-2,3-benzoxasilin-4-yl)-methylsilane is sourced from PubChem (CID 15784111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).